1-ethenyl-3-undecylimidazol-3-ium

C16H29N2+ — CID 90886858

IUPAC1-ethenyl-3-undecylimidazol-3-ium
SMILESC=Cn1cc[n+](CCCCCCCCCCC)c1
InChIInChI=1S/C16H29N2/c1-3-5-6-7-8-9-10-11-12-13-18-15-14-17(4-2)16-18/h4,14-16H,2-3,5-13H2,1H3/q+1
InChIKeyYJPCSRJCJQSAFU-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.41
Rot. Bonds11

About 1-ethenyl-3-undecylimidazol-3-ium

1-ethenyl-3-undecylimidazol-3-ium (PubChem CID 90886858) has the molecular formula C16H29N2+ and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-ethenyl-3-undecylimidazol-3-ium.

Molecular Properties

Compound Name1-ethenyl-3-undecylimidazol-3-ium
PubChem CID90886858
Molecular FormulaC16H29N2+
Molecular Weight249.42 g/mol
Exact Mass249.23
IUPAC Name1-ethenyl-3-undecylimidazol-3-ium
SMILESC=Cn1cc[n+](CCCCCCCCCCC)c1
InChIInChI=1S/C16H29N2/c1-3-5-6-7-8-9-10-11-12-13-18-15-14-17(4-2)16-18/h4,14-16H,2-3,5-13H2,1H3/q+1
InChIKeyYJPCSRJCJQSAFU-UHFFFAOYSA-N
XLogP4.41
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-3-pentylimidazol-3-ium chloride
CID 172560941
1-ethenyl-3-hexadecylimidazol-3-ium;trifluoromethanesulfonate
CID 156755258
1-ethenyl-3-[5-(3-ethenylimidazol-1-ium-1-yl)pentyl]imidazol-3-ium dihexafluorophosphate
CID 170460034
bis(trifluoromethylsulfonyl)azanide;1-ethenyl-3-heptadecylimidazol-3-ium
CID 156755275
1-octyl-3-prop-2-enylimidazol-1-ium
CID 58704002
5-(3-ethenylimidazol-1-ium-1-yl)pentanoic acid
CID 122390303
2-(3-ethenylimidazol-1-ium-1-yl)ethanol
CID 14366476
1-butyl-3-octylimidazol-3-ium iodide
CID 141228850
bis(1,3-didodecylimidazol-1-ium) diiodide
CID 139144498
1-ethyl-3-undecylimidazol-3-ium
CID 87807837
1-ethyl-3-nonadecylimidazol-3-ium
CID 87810884
anilinomethanesulfonate;1-butyl-3-ethenylimidazol-1-ium
CID 160790324

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-undecylimidazol-3-ium?
The IUPAC name of 1-ethenyl-3-undecylimidazol-3-ium (CID 90886858) is 1-ethenyl-3-undecylimidazol-3-ium.
What is the SMILES notation for 1-ethenyl-3-undecylimidazol-3-ium?
The canonical SMILES for 1-ethenyl-3-undecylimidazol-3-ium is C=Cn1cc[n+](CCCCCCCCCCC)c1.
What is the InChIKey of 1-ethenyl-3-undecylimidazol-3-ium?
The InChIKey is YJPCSRJCJQSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N2/c1-3-5-6-7-8-9-10-11-12-13-18-15-14-17(4-2)16-18/h4,14-16H,2-3,5-13H2,1H3/q+1.
What are the key properties of 1-ethenyl-3-undecylimidazol-3-ium?
1-ethenyl-3-undecylimidazol-3-ium has a molecular weight of 249.42 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-undecylimidazol-3-ium is sourced from PubChem (CID 90886858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).